(2R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-2-phenylpiperazine

C22H28N2O — CID 100597337

IUPAC(2R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-2-phenylpiperazine
SMILESCOc1cc2c(cc1CN1CCN(C)[C@H](c3ccccc3)C1)CCC2
InChIInChI=1S/C22H28N2O/c1-23-11-12-24(16-21(23)17-7-4-3-5-8-17)15-20-13-18-9-6-10-19(18)14-22(20)25-2/h3-5,7-8,13-14,21H,6,9-12,15-16H2,1-2H3/t21-/m0/s1
InChIKeyFAWVUDNETSKOPX-NRFANRHFSA-N
MW336.48 g/mol
LogP3.67
Rot. Bonds4

About (2R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-2-phenylpiperazine

(2R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-2-phenylpiperazine (PubChem CID 100597337) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is (2R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name(2R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-2-phenylpiperazine
PubChem CID100597337
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name(2R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-2-phenylpiperazine
SMILESCOc1cc2c(cc1CN1CCN(C)[C@H](c3ccccc3)C1)CCC2
InChIInChI=1S/C22H28N2O/c1-23-11-12-24(16-21(23)17-7-4-3-5-8-17)15-20-13-18-9-6-10-19(18)14-22(20)25-2/h3-5,7-8,13-14,21H,6,9-12,15-16H2,1-2H3/t21-/m0/s1
InChIKeyFAWVUDNETSKOPX-NRFANRHFSA-N
XLogP3.67
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,8-dimethoxy-3-methyl-4-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 12744904
[(4aS,8aS)-7-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol
CID 135088685
2-benzhydryl-1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
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(2R)-1-methyl-2-phenyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
CID 124757280
5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
CID 110098343
(3R,5S)-5-amino-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-ol
CID 146046794
(2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine
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1-[4-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]piperidin-1-yl]ethanone
CID 155498928
(3aR,6aS)-5-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-pyridin-2-ylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
CID 133135026
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine
CID 74237175
(2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine
CID 124976190
(2R,3S)-2-benzhydryl-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 139640163

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-2-phenylpiperazine?
The IUPAC name of (2R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-2-phenylpiperazine (CID 100597337) is (2R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-2-phenylpiperazine.
What is the SMILES notation for (2R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-2-phenylpiperazine?
The canonical SMILES for (2R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-2-phenylpiperazine is COc1cc2c(cc1CN1CCN(C)[C@H](c3ccccc3)C1)CCC2.
What is the InChIKey of (2R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-2-phenylpiperazine?
The InChIKey is FAWVUDNETSKOPX-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28N2O/c1-23-11-12-24(16-21(23)17-7-4-3-5-8-17)15-20-13-18-9-6-10-19(18)14-22(20)25-2/h3-5,7-8,13-14,21H,6,9-12,15-16H2,1-2H3/t21-/m0/s1.
What are the key properties of (2R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-2-phenylpiperazine?
(2R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-2-phenylpiperazine has a molecular weight of 336.48 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-2-phenylpiperazine is sourced from PubChem (CID 100597337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).